N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C19H17FN4O6 — CID 89390838

IUPACN-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESC=C1OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOC1=O)c(O)c2=O
InChIInChI=1S/C19H17FN4O6/c1-10-16-22-14(15(25)18(27)24(16)5-6-29-10)17(26)21-9-11-2-3-12(20)8-13(11)23-4-7-30-19(23)28/h2-3,8,25H,1,4-7,9H2,(H,21,26)
InChIKeyLEUQODLCPVGKSY-UHFFFAOYSA-N
MW416.37 g/mol
LogP0.98
Rot. Bonds4

About N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 89390838) has the molecular formula C19H17FN4O6 and a molecular weight of 416.37 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID89390838
Molecular FormulaC19H17FN4O6
Molecular Weight416.37 g/mol
Exact Mass416.11
IUPAC NameN-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESC=C1OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOC1=O)c(O)c2=O
InChIInChI=1S/C19H17FN4O6/c1-10-16-22-14(15(25)18(27)24(16)5-6-29-10)17(26)21-9-11-2-3-12(20)8-13(11)23-4-7-30-19(23)28/h2-3,8,25H,1,4-7,9H2,(H,21,26)
InChIKeyLEUQODLCPVGKSY-UHFFFAOYSA-N
XLogP0.98
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 89390814
3-hydroxy-9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679969
N-[[4-fluoro-2-(2-oxoazepan-1-yl)phenyl]methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149746
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-fluorophenyl]methyl]-3-hydroxy-4-oxospiro[7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-10,1'-cyclopentane]-2-carboxamide
CID 54705116
N-[[4-fluoro-2-(2-oxoazetidin-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680815
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine-2-carboxamide
CID 66668074
2-[[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-1'-carboxylic acid
CID 90950228
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,3'-oxetane]-2-carboxamide
CID 54680885
N-[[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepine-10,4'-oxane]-2-carboxamide
CID 54705125
N-[[2-[(2S)-2-ethyl-2-methyl-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 163673842
3-[2-(aminomethyl)-5-fluorophenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 21069848
methyl 2-[5-fluoro-2-[[(3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carbonyl)amino]methyl]phenyl]-5-methyl-1H-1,2,4-triazole-5-carboxylate
CID 143149757

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 89390838) is N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is C=C1OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCOC1=O)c(O)c2=O.
What is the InChIKey of N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is LEUQODLCPVGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O6/c1-10-16-22-14(15(25)18(27)24(16)5-6-29-10)17(26)21-9-11-2-3-12(20)8-13(11)23-4-7-30-19(23)28/h2-3,8,25H,1,4-7,9H2,(H,21,26).
What are the key properties of N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-hydroxy-9-methylidene-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 89390838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).